N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-4-chloro-N,1,3-trimethylpyrazole-5-carboxamide

C13H17BrClN5O — CID 19507729

IUPACN-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-4-chloro-N,1,3-trimethylpyrazole-5-carboxamide
SMILESCCn1ncc(Br)c1CN(C)C(=O)c1c(Cl)c(C)nn1C
InChIInChI=1S/C13H17BrClN5O/c1-5-20-10(9(14)6-16-20)7-18(3)13(21)12-11(15)8(2)17-19(12)4/h6H,5,7H2,1-4H3
InChIKeyREIMCUYYNKIRCW-UHFFFAOYSA-N
MW374.67 g/mol
LogP2.63
Rot. Bonds4

About N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-4-chloro-N,1,3-trimethylpyrazole-5-carboxamide

N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-4-chloro-N,1,3-trimethylpyrazole-5-carboxamide (PubChem CID 19507729) has the molecular formula C13H17BrClN5O and a molecular weight of 374.67 g/mol. Its IUPAC name is N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-4-chloro-N,1,3-trimethylpyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-4-chloro-N,1,3-trimethylpyrazole-5-carboxamide
PubChem CID19507729
Molecular FormulaC13H17BrClN5O
Molecular Weight374.67 g/mol
Exact Mass373.03
IUPAC NameN-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-4-chloro-N,1,3-trimethylpyrazole-5-carboxamide
SMILESCCn1ncc(Br)c1CN(C)C(=O)c1c(Cl)c(C)nn1C
InChIInChI=1S/C13H17BrClN5O/c1-5-20-10(9(14)6-16-20)7-18(3)13(21)12-11(15)8(2)17-19(12)4/h6H,5,7H2,1-4H3
InChIKeyREIMCUYYNKIRCW-UHFFFAOYSA-N
XLogP2.63
TPSA55.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.67
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-4-chloro-N,1,3-trimethylpyrazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-chloro-N-[(1,5-dimethylpyrazol-4-yl)methyl]-N,1,3-trimethylpyrazole-5-carboxamide
CID 19575688
ethyl 3-[(4-bromo-1-ethylpyrazol-5-yl)methyl-methylcarbamoyl]-1-methylpyrazole-5-carboxylate
CID 19278166
N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-N,1-dimethyl-5-(trifluoromethyl)pyrazole-3-carboxamide
CID 19278198
4-bromo-N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-1,3-dimethylpyrazole-5-carboxamide
CID 19480556
N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-4-ethyl-N-methylbenzamide
CID 19460410
N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-N,2,4-trimethylbenzamide
CID 19460411
4-chloro-N-[5-(dimethylcarbamoyl)-1-ethylpyrazol-4-yl]-1,3-dimethylpyrazole-5-carboxamide
CID 19477126
N-[(4-bromo-1-methylpyrazol-5-yl)methyl]-3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-methylpropanamide
CID 19458493
N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-2-(4-bromo-3-methylpyrazol-1-yl)-N-methylpropanamide
CID 19460376
4,5-dibromo-N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-N-methyl-1H-pyrazole-3-carboxamide
CID 19515419
N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-4-[(4-chlorophenoxy)methyl]-N-methylbenzamide
CID 19460406
N-[(4-bromo-1-methylpyrazol-5-yl)methyl]-N,1,3-trimethylpyrazole-4-carboxamide
CID 19477885

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-4-chloro-N,1,3-trimethylpyrazole-5-carboxamide?
The IUPAC name of N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-4-chloro-N,1,3-trimethylpyrazole-5-carboxamide (CID 19507729) is N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-4-chloro-N,1,3-trimethylpyrazole-5-carboxamide.
What is the SMILES notation for N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-4-chloro-N,1,3-trimethylpyrazole-5-carboxamide?
The canonical SMILES for N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-4-chloro-N,1,3-trimethylpyrazole-5-carboxamide is CCn1ncc(Br)c1CN(C)C(=O)c1c(Cl)c(C)nn1C.
What is the InChIKey of N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-4-chloro-N,1,3-trimethylpyrazole-5-carboxamide?
The InChIKey is REIMCUYYNKIRCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrClN5O/c1-5-20-10(9(14)6-16-20)7-18(3)13(21)12-11(15)8(2)17-19(12)4/h6H,5,7H2,1-4H3.
What are the key properties of N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-4-chloro-N,1,3-trimethylpyrazole-5-carboxamide?
N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-4-chloro-N,1,3-trimethylpyrazole-5-carboxamide has a molecular weight of 374.67 g/mol, XLogP of 2.63, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-4-chloro-N,1,3-trimethylpyrazole-5-carboxamide is sourced from PubChem (CID 19507729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).